Oxygenates screening for AdvancedPetroleum-Based Diesel Fuels: Part 2. The Effect of Oxygenate Blending Compounds on Exhaust Emissions

Gonzalez, A D Manuel; Piel, W. J.; Asmus, Tom; Clark, Wendy; Garbak, J.; Liney, Eleanor; Natarajan, Mani; Naegeli, D. W.; Yost, Douglas M.; Frame, Edwin A; Wallace, James P.

doi:10.4271/2001-01-3632

Cited by 78 publications

(37 citation statements)

References 11 publications

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“…To examine this effect in greater detail, two additional oxygenated species were selected for further consideration, including dimethyl carbonate (DMC) and a larger species, di-butyl maleate (DBM), that had been selected by the same committee that had recommended TPGME for further study 4 . These structures are shown in Figure 4; both dibutyl maleate and dimethyl carbonate are characterized by variations of the same ester structure as in MB.…”

Section: Ester Structuresmentioning

confidence: 99%

Chemical Kinetic Modeling Study of the Effects of Oxygenated Hydrocarbons on Soot Emissions from Diesel Engines

2006

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A detailed chemical kinetic modeling approach is used to examine the phenomenon of suppression of sooting in diesel engines by addition of oxygenated hydrocarbon species to the fuel. This suppression, which has been observed experimentally for a few years, is explained kinetically as a reduction in concentrations of soot precursors present in the hot products of a fuel-rich diesel ignition zone when oxygenates are included. Oxygenates decrease the overall equivalence ratio of the igniting mixture, producing higher ignition temperatures and more radical species to consume more soot precursor species, leading to lower soot production. The kinetic model is also used to show how different oxygenates, ester structures in particular, can have different soot-suppression efficiencies due to differences in molecular structure of the oxygenated species.4

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Section: Ester Structuresmentioning

confidence: 99%

Chemical Kinetic Modeling Study of the Effects of Oxygenated Hydrocarbons on Soot Emissions from Diesel Engines

2006

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“…Reaction B is the desired path for an ideal oxygenated fuel because each oxygen atom pairs up with one carbon atom (one carbon atom in CO and one carbon atom in RO.). The ROC.=O moiety with its key branching ratio appears in the chemistry of practical oxygenated fuels like dibutyl maleate [3] that has been identified as a very attractive fuel for diesel engines [4]. Indeed, this moiety appears in the chemistry of all biodiesel fuels derived from plants, because of their methyl ester molecular structure.…”

Section: Roc=o => Ro + Co (B)mentioning

confidence: 99%

Chemical kinetic modeling of dimethyl carbonate in an opposed-flow diffusion flame

Glaude

Pitz

Thomson

2005

Proceedings of the Combustion Institute

163

193

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Dimethyl carbonate (DMC) has been of interest as an oxygenate additive to diesel fuel because of its high oxygen content. In this study, a chemical kinetic mechanism for DMC was developed for the first time and used to understand its combustion under conditions in an opposed flow diffusion flame. Computed results were compared to experimental results from an opposed flow diffusion flame. It was found that the decomposition rate DMC => H 3 COC(=O)O. + CH 3 in the flame was much slower than originally thought because resonance stabilization in the H 3 COC(=O)O. radical was less than expected. Also, a new molecular elimination path for DMC is proposed and its rate calculated by quantum chemical methods. In the simulations of DMC in the flame, it was determined that much of the oxygen in dimethyl carbonate goes directly to CO 2. This characteristic indicates that DMC would not be an effective oxygenate additive for reducing soot emissions from diesel engines. In an ideal oxygenate additive for diesel fuel, each oxygen atom stays bonded to one carbon atom in the products thereby preventing the formation of carbon-carbon bonds that can lead to soot. When CO 2 is formed directly, two oxygen atoms are bonded to one carbon atom thereby wasting one oxygen atom in the oxygenate additive. To determine how much CO 2 is formed directly, the branching ratio of the key reaction, CH 3 OC.=O going to the products CH 3 + CO 2 or CH 3 O + CO was determined by ab initio methods. The Afactors of the rate constant of this reaction were found to be about 20 times higher than previous estimates. The new reaction rate constants obtained can be used as reaction rate rules for all oxygenates that contain the ester moiety including biodiesel.

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“…As it is well known, oxygenated compounds could improve Diesel fuel performance [6,7]. They induce reduction in particulate emissions and/or improvement in cetane index of the fuel [8][9][10].…”

Section: State Of the Artmentioning

confidence: 99%

Glycerin for New Biodiesel Formulation

Jaecker-Voirol

Durand

Hillion

et al. 2008

Oil & Gas Science and Technology - Rev. IFP

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Résumé -Formulation d'un nouveau biocarburant Diesel à base de glycérol -Les biocarburants sont une alternative intéressante pour limiter les émissions de gaz à effet de serre, améliorer la qualité de l'air et trouver de nouvelles ressources énergétiques. Pour les moteurs Diesel, les esters d'huiles végétales, provenant de la transestérification des huiles végétales, ont montré leur potentiel comme carburants alternatifs. Toutefois, la transestérification engendre systématiquement la formation de glycérine (ou glycérol). Trouver un débouché, pour ce glycérol, est fondamental pour la filière des esters d'huiles végétales. En parallèle, les composés oxygénés ont montré leur potentiel pour réduire les émissions de particules des moteurs Diesel. Transformer le glycérol en un dérivé oxygéné, miscible au gazole, pourrait être une solution très prometteuse. Différents composés oxygénés dérivés du glycérol, tels que des acétals, des éthers et des carbonates ont été synthétisés et évalués en mélange dans du gazole. Notre objectif était d'évaluer leur potentiel par rapport à des mélanges contenant de l'EMC (Ester Méthylique de Colza), en terme d'émissions de polluants sur différentes technologies moteurs, et de sélectionner le plus prometteur. Le GTBE (ter-butyl ethers de glycérol) s'est avéré le plus intéressant et a été mélangé avec du biodiesel tout en restant dans les limites des critères physico-chimiques de la norme EN 14214. Ce nouveau biocarburant (92,5 % EMC + 7,5 % GTBE + 1000 ppm pro cetane) a été incorporé dans du gazole à hauteur de 5 % vol. et comparé à un mélange contenant 5 % d'EMC. Après différents tests menés sur véhicule et sur moteur, en se focalisant sur les émissions de polluants et d'éventuels problèmes d'encrassement, nous pouvons conclure que l'utilisation de ce nouveau biocarburant ne présente pas d'inconvénient technique. La décision d'utiliser ce dérivé du glycérol dans la formulation des gazoles sera donc gouvernée par des critères économiques. Abstract

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Oxygenates screening for AdvancedPetroleum-Based Diesel Fuels: Part 2. The Effect of Oxygenate Blending Compounds on Exhaust Emissions

Cited by 78 publications

References 11 publications

Chemical Kinetic Modeling Study of the Effects of Oxygenated Hydrocarbons on Soot Emissions from Diesel Engines

Chemical Kinetic Modeling Study of the Effects of Oxygenated Hydrocarbons on Soot Emissions from Diesel Engines

Chemical kinetic modeling of dimethyl carbonate in an opposed-flow diffusion flame

Glycerin for New Biodiesel Formulation

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